2-{2-oxo-1-oxa-3,7-diazaspiro[4.5]decan-7-yl}-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 487022
• Molecular Formular: C15H20N4O3
• Molecular Mass: 304.3443
• Monoisotopic Mass: 304.15354052
• SMILES: C1(=O)OC2(CN(CC(=O)NCc3ncccc3)CCC2)CN1
• Canonical SMILES: O=C(CN1CCCC2(C1)CNC(=O)O2)NCc1ccccn1
• InChI: InChI=1S/C15H20N4O3/c20-13(17-8-12-4-1-2-6-16-12)9-19-7-3-5-15(11-19)10-18-14(21)22-15/h1-2,4,6H,3,5,7-11H2,(H,17,20)(H,18,21)
• InChIKey: ZUGAKOYDWHRGEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-oxo-1-oxa-3,7-diazaspiro[4.5]decan-7-yl}-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-{2-oxo-1-oxa-3,7-diazaspiro[4.5]decan-7-yl}-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: 2-(2-oxo-1-oxa-3,7-diazaspiro[4.5]dec-7-yl)-N-(2-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.706428
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8374542
• LogD (pH = 7.4): -0.574294
• Log P: -0.46787897
• Molar Refractivity: 78.8741 cm^3
• Polarizability: 31.064873 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.04
• LOG S: -1.46
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 4